Information card for entry 2018972

Structure parameters

• Chemical name: Poly[1<i>H</i>-imidazol-3-ium [tri-μ~2~-formato-manganese(II)]]
• Formula: C6 H8 Mn N2 O6
• Calculated formula: C6 H8 Mn N2 O6
• Title of publication: Reversible high-temperature phase transition of a manganese(II) formate framework with imidazolium cations
• Authors of publication: Wang, Bi-Qin; Yan, Hai-Biao; Huang, Zheng-Qing; Zhang, Zhi
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 6
• Pages of publication: 616 - 619
• a: 8.8324 ± 0.0012 Å
• b: 8.8324 ± 0.0012 Å
• c: 6.4406 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 502.44 ± 0.14 ų
• Cell temperature: 453 ± 2 K
• Ambient diffraction temperature: 453 ± 2 K
• Number of distinct elements: 5
• Space group number: 113
• Hermann-Mauguin space group symbol: P -4 21 m
• Hall space group symbol: P -4 2ab
• Residual factor for all reflections: 0.0557
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.128
• Weighted residual factors for all reflections included in the refinement: 0.1353
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes